1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene

C14H7F7O2 — CID 134629043

IUPAC1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
SMILESFc1ccc(OC(F)(F)F)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H7F7O2/c15-12-5-4-10(23-14(19,20)21)7-11(12)8-2-1-3-9(6-8)22-13(16,17)18/h1-7H
InChIKeyQARZFPDACXQWAB-UHFFFAOYSA-N
MW340.19 g/mol
LogP5.29
Rot. Bonds3

About 1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene

1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene (PubChem CID 134629043) has the molecular formula C14H7F7O2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
PubChem CID134629043
Molecular FormulaC14H7F7O2
Molecular Weight340.19 g/mol
Exact Mass340.03
IUPAC Name1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
SMILESFc1ccc(OC(F)(F)F)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H7F7O2/c15-12-5-4-10(23-14(19,20)21)7-11(12)8-2-1-3-9(6-8)22-13(16,17)18/h1-7H
InChIKeyQARZFPDACXQWAB-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.19
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-fluoro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 58049422
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-[2-fluoro-5-(trifluoromethoxy)phenyl]furan
CID 168524951
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
4,5-difluoro-2-[3-(trifluoromethoxy)phenyl]benzonitrile
CID 172648931
4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 156613139
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118821679
1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene
CID 118809524

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene (CID 134629043) is 1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene is Fc1ccc(OC(F)(F)F)cc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene?
The InChIKey is QARZFPDACXQWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7O2/c15-12-5-4-10(23-14(19,20)21)7-11(12)8-2-1-3-9(6-8)22-13(16,17)18/h1-7H.
What are the key properties of 1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene?
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene has a molecular weight of 340.19 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134629043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).